N-acetyl-L-cysteinate (CHEBI:78236)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	N-acetyl-L-cysteinate

ChEBI ID	CHEBI:78236

ChEBI ASCII Name	N-acetyl-L-cysteinate

Definition	A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	KAX

Supplier Information

Download	Molfile XML SDF

Formula

C5H8NO3S

Net Charge

-1

Average Mass

162.18700

Monoisotopic Mass

162.02304

InChI

InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/p-1/t4-/m0/s1

InChIKey

PWKSKIMOESPYIA-BYPYZUCNSA-M

SMILES

CC(=O)N[C@@H](CS)C([O-])=O

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

Biological Role(s):	antiviral drug A substance used in the prophylaxis or therapy of virus diseases. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

Application(s):	antidote to paracetamol poisoning A role borne by a molecule that acts to counteract or neutralize the deleterious effects of paracetamol (acetaminophen). antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. mucolytic A compound that alters the structure of mucus so as to decrease its viscosity and thereby facilitate its removal by ciliary action and expectoration. Compare with antitussives, which suppress the cough reflex, and expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing. vulnerary A drug used in treating and healing of wounds.

ChEBI Ontology
Outgoing	N-acetyl-L-cysteinate (CHEBI:78236) has role antidote to paracetamol poisoning (CHEBI:74529) N-acetyl-L-cysteinate (CHEBI:78236) has role antiinfective agent (CHEBI:35441) N-acetyl-L-cysteinate (CHEBI:78236) has role antioxidant (CHEBI:22586) N-acetyl-L-cysteinate (CHEBI:78236) has role antiviral drug (CHEBI:36044) N-acetyl-L-cysteinate (CHEBI:78236) has role human metabolite (CHEBI:77746) N-acetyl-L-cysteinate (CHEBI:78236) has role mucolytic (CHEBI:77034) N-acetyl-L-cysteinate (CHEBI:78236) has role vulnerary (CHEBI:73336) N-acetyl-L-cysteinate (CHEBI:78236) is a monocarboxylic acid anion (CHEBI:35757) N-acetyl-L-cysteinate (CHEBI:78236) is conjugate base of N-acetyl-L-cysteine (CHEBI:28939)

Incoming	S-substituted N-acetyl-L-cysteinate (CHEBI:58718) has functional parent N-acetyl-L-cysteinate (CHEBI:78236) N-acetyl-L-cysteine (CHEBI:28939) is conjugate acid of N-acetyl-L-cysteinate (CHEBI:78236)

IUPAC Name

(2R)-2-acetamido-3-sulfanylpropanoate

Synonym	Source
N-acetyl-L-cysteine	UniProt

Registry Number	Type	Source
6327823	Reaxys Registry Number	Reaxys

Citation	Type	Source
19268377	PubMed citation	SUBMITTER

Last Modified

09 February 2023